(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H19NO8/c1-4-12-5-6-14-13(8-20(23)30-17(14)7-12)11-29-21(24)15-9-18(27-2)19(28-3)10-16(15)22(25)26/h5-10H,4,11H2,1-3H3